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Information card for entry 7714542
Preview
| Coordinates | 7714542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H64 Cl2 F12 Fe2 Ir2 N6 P2 S2 |
|---|---|
| Calculated formula | C57 Cl2 F12 Fe2 Ir2 N6 P2 S2 |
| SMILES | C1([S]2[Ir]34567([c]8(c9ccccc9)[c]3([c]4([c]5([c]68C)C)C)C)[N](=C([c]34[cH]5[cH]6[cH]8[cH]3[Fe]39%10%114568[cH]4[cH]3[cH]9[cH]%10[cH]%114)C)N=C([S]7[Ir]34562([c]2([c]3([c]4([c]5([c]62C)C)c2ccccc2)C)C)[N](=C([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)C)N=1)N)N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl |
| Title of publication | The anticancer application of half-sandwich iridium(III) ferrocene-thiosemicarbazide Schiff base complexes. |
| Authors of publication | Liu, Xicheng; Lv, Ao; Zhang, Pei; Chang, Jiaying; Dong, Ruixiao; Liu, Mengxian; Liu, Jiayi; Huang, Xiaoqing; Yuan, Xiang-Ai; Liu, Zhe |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 2 |
| Pages of publication | 552 - 563 |
| a | 11.6402 ± 0.0016 Å |
| b | 29.21 ± 0.004 Å |
| c | 20.134 ± 0.003 Å |
| α | 90° |
| β | 91.112 ± 0.005° |
| γ | 90° |
| Cell volume | 6844.5 ± 1.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.165 |
| Weighted residual factors for all reflections included in the refinement | 0.1791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298328 (current) | 2025-03-07 | cif/7: Fixing Z values and formulae |
7714542.cif |
| 289530 | 2024-02-04 | cif/ Updating files of 7714542 Original log message: Adding full bibliography for 7714542.cif. |
7714542.cif |
| 287791 | 2023-11-25 | cif/ Adding structures of 7714542 via cif-deposit CGI script. |
7714542.cif |
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Users of the data should acknowledge the original authors of the
structural data.